%0 Journal Article
%A Tsukamoto, Shigeru
%A Caciuc, Vasile
%A Atodiresei, Nicolae
%A Blügel, Stefan
%T Spin-polarized electron transmission through B-doped graphene nanoribbons with Fe functionalization: a first-principles study
%J New journal of physics
%V 22
%N 6
%@ 1367-2630
%C [London]
%I IOP73379
%M FZJ-2020-01847
%P 063022
%D 2020
%X In this study, we investigate the electron transport properties of a B-doped armchair graphene nanoribbon (AGNR) suspended between graphene electrodes based on first-principles calculations. Our calculations reveal that one of the electron transmission channels of a pristine AGNR junction is closed by the B-doping. We then proceed to explore the effect of the B-doping on the spin-polarized electron transport behavior of a Fe-functionalized AGNR junction. As a result, transmission channels for majority-spin electrons are closed and the spin polarization of the electron transmission is enhanced from 0.60 for the Fe-functionalized AGNR junction to 0.96 for the B- and Fe-codoped one. This observation implies that the codoped AGNR junction can be employed as a spin filter. In addition, we investigate the electronic nature of the transmission suppression caused by the B-doping. A detailed analysis of the scattering wave functions clarifies that a mode modulation of an incident wave arises in the B-doped AGNR part and the incident wave connects to an evanescent wave in the transmission-side electrode. For pristine and Fe-functionalized AGNR junctions, such a mode modulation is not observed and the incident wave connects to a propagating wave in the transmission-side electrode. Tuning of electron transport property by exploiting such a mode modulation is one of promising techniques for designing functionality of spintronics devices. We also discuss the general correspondence between the electron transmission spectrum and the density of states of a junction.
%F PUB:(DE-HGF)16
%9 Journal Article
%U <Go to ISI:>//WOS:000543093100001
%R 10.1088/1367-2630/ab8cac
%U https://juser.fz-juelich.de/record/875157